3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one

C13H22N4O3S — CID 63601891

IUPAC3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one
SMILESCCCn1cc(S(=O)(=O)N2CCNC(=O)C2CC)nc1C
InChIInChI=1S/C13H22N4O3S/c1-4-7-16-9-12(15-10(16)3)21(19,20)17-8-6-14-13(18)11(17)5-2/h9,11H,4-8H2,1-3H3,(H,14,18)
InChIKeyLSGHKWIZKJPDIC-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.50
Rot. Bonds5

About 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one

3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one (PubChem CID 63601891) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one
PubChem CID63601891
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one
SMILESCCCn1cc(S(=O)(=O)N2CCNC(=O)C2CC)nc1C
InChIInChI=1S/C13H22N4O3S/c1-4-7-16-9-12(15-10(16)3)21(19,20)17-8-6-14-13(18)11(17)5-2/h9,11H,4-8H2,1-3H3,(H,14,18)
InChIKeyLSGHKWIZKJPDIC-UHFFFAOYSA-N
XLogP0.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one (CID 63601891) is 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one is CCCn1cc(S(=O)(=O)N2CCNC(=O)C2CC)nc1C.
What is the InChIKey of 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one?
The InChIKey is LSGHKWIZKJPDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-7-16-9-12(15-10(16)3)21(19,20)17-8-6-14-13(18)11(17)5-2/h9,11H,4-8H2,1-3H3,(H,14,18).
What are the key properties of 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one?
3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one has a molecular weight of 314.41 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 63601891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).